[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-but-1-ynyl-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-but-1-ynyl-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dibenzoyloxy-3-but-1-ynyl-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dibenzoyloxy-3-but-1-ynyl-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dibenzoyloxy-3-but-1-ynyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dibenzoyloxy-3-but-1-ynyl-tetrahydrofuran-2-yl]methyl ester Formula: C34H29N3O8 MolecularWeight: 607.60936

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1(C(OC(C1OC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCC#CC1(C(OC(C1OC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H29N3O8/c1-2-3-20-34(45-32(40)25-17-11-6-12-18-25)26(22-42-30(38)23-13-7-4-8-14-23)43-29(37-21-19-27(35)36-33(37)41)28(34)44-31(39)24-15-9-5-10-16-24/h4-19,21,26,28-29H,2,22H2,1H3,(H2,35,36,41)